(3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile

C78H75Br2Cl5F2N20O4S7 — CID 165039211

About (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile

(3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile (PubChem CID 165039211) has the molecular formula C78H75Br2Cl5F2N20O4S7 and a molecular weight of 1956.13 g/mol. Its IUPAC name is (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile.

Molecular Properties

• Compound Name: (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
• PubChem CID: 165039211
• Molecular Formula: C78H75Br2Cl5F2N20O4S7
• Molecular Weight: 1956.13 g/mol
• Exact Mass: 1950.11
• IUPAC Name: (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile
• SMILES: C[C@H](N)Cc1sc2c(NCc3ccco3)cc(C#N)nc2c1Br.C[C@H](N)Cc1sc2c(NCc3ccco3)cc(C#N)nc2c1C#N.N[C@@H](CCF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.N[C@@H](CCO)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.N[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br
• InChI: InChI=1S/C17H15N5OS.C16H15BrN4OS.C15H14BrClFN3OS.C15H15Cl2FN4S2.C15H16Cl2N4OS2/c1-10(20)5-15-13(8-19)16-17(24-15)14(6-11(7-18)22-16)21-9-12-3-2-4-23-12;1-9(19)5-13-14(17)15-16(23-13)12(6-10(7-18)21-15)20-8-11-3-2-4-22-11;16-13-11(4-8(19)6-18)23-15-10(5-12(17)21-14(13)15)20-7-9-2-1-3-22-9;16-11-6-9(21-7-12-20-3-4-23-12)15-14(22-11)13(17)10(24-15)5-8(19)1-2-18;16-11-6-9(20-7-12-19-2-4-23-12)15-14(21-11)13(17)10(24-15)5-8(18)1-3-22/h2-4,6,10H,5,9,20H2,1H3,(H,21,22);2-4,6,9H,5,8,19H2,1H3,(H,20,21);1-3,5,8H,4,6-7,19H2,(H,20,21);3-4,6,8H,1-2,5,7,19H2,(H,21,22);2,4,6,8,22H,1,3,5,7,18H2,(H,20,21)/t10-;9-;3*8-/m00100/s1
• InChIKey: NVXXEXFTVSYFBQ-SNNTXWLSSA-N
• XLogP: 20.74
• TPSA: 411.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1956.13
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

The IUPAC name of (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile (CID 165039211) is (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile.

What is the SMILES notation for (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

The canonical SMILES for (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile is C[C@H](N)Cc1sc2c(NCc3ccco3)cc(C#N)nc2c1Br.C[C@H](N)Cc1sc2c(NCc3ccco3)cc(C#N)nc2c1C#N.N[C@@H](CCF)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.N[C@@H](CCO)Cc1sc2c(NCc3nccs3)cc(Cl)nc2c1Cl.N[C@@H](CF)Cc1sc2c(NCc3ccco3)cc(Cl)nc2c1Br.

What is the InChIKey of (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

The InChIKey is NVXXEXFTVSYFBQ-SNNTXWLSSA-N. The full InChI is InChI=1S/C17H15N5OS.C16H15BrN4OS.C15H14BrClFN3OS.C15H15Cl2FN4S2.C15H16Cl2N4OS2/c1-10(20)5-15-13(8-19)16-17(24-15)14(6-11(7-18)22-16)21-9-12-3-2-4-23-12;1-9(19)5-13-14(17)15-16(23-13)12(6-10(7-18)21-15)20-8-11-3-2-4-22-11;16-13-11(4-8(19)6-18)23-15-10(5-12(17)21-14(13)15)20-7-9-2-1-3-22-9;16-11-6-9(21-7-12-20-3-4-23-12)15-14(22-11)13(17)10(24-15)5-8(19)1-2-18;16-11-6-9(20-7-12-19-2-4-23-12)15-14(21-11)13(17)10(24-15)5-8(18)1-3-22/h2-4,6,10H,5,9,20H2,1H3,(H,21,22);2-4,6,9H,5,8,19H2,1H3,(H,20,21);1-3,5,8H,4,6-7,19H2,(H,20,21);3-4,6,8H,1-2,5,7,19H2,(H,21,22);2,4,6,8,22H,1,3,5,7,18H2,(H,20,21)/t10-;9-;3*8-/m00100/s1.

What are the key properties of (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile?

(3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile has a molecular weight of 1956.13 g/mol, XLogP of 20.74, 30 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-amino-4-[3,5-dichloro-7-(1,3-thiazol-2-ylmethylamino)thieno[3,2-b]pyridin-2-yl]butan-1-ol;2-[(2S)-2-amino-4-fluorobutyl]-3,5-dichloro-N-(1,3-thiazol-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2R)-2-amino-3-fluoropropyl]-3-bromo-5-chloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;2-[(2S)-2-aminopropyl]-3-bromo-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-5-carbonitrile;2-[(2S)-2-aminopropyl]-7-(furan-2-ylmethylamino)thieno[3,2-b]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 165039211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).